Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9010469 | 0.75 | IKBKB (0.36) | PDE4APDE4BPDE4CPDE4DADORA2A | |
| SCHEMBL22902731 | 0.70 | APOBEC3A (0.37) | NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL20161992 | 0.68 | PDE10A (0.31) | HDAC1PDE10A | |
| SCHEMBL21861650 | 0.68 | CSNK2A2 (0.34) | ADORA2B | |
| SCHEMBL30800978 | 0.68 | POLB (0.38) | ADORA2ASMN1; SMN2 | |
| SCHEMBL28127824 | 0.67 | APOBEC3A (0.37) | — | |
| SCHEMBL7985623 | 0.66 | ADORA2A (0.45) | CYP2C19PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11503590 | 0.66 | ADORA2A (0.38) | CYP2C19PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18050889 | 0.66 | MEN1 (0.42) | CYP2C19PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL18175174 | 0.66 | ADORA2A (0.42) | PDE4APDE4BPDE4CPDE4DCDK1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-1180883-A | — | — | None | — | — | JP | disclosed |
| US-5550041-A | PRODUCING 3-METHYL-7-ALKYLXANTHINE BY CULTIVATING PSEUDOMONAS TRANSFORMED TO PRODUCE CAFFEINE DEMETHYLASE IN NUTRIENT MEDIUM CONTAINING 1,3-DIMETHYL-7-ALKYLXANTHINE | AMANO PHARMACEUTICAL CO., LTD. (JP) | 1996-08-27 | — | — | US | disclosed |
| JP-H01180883-A | PRODUCTION OF 3-METHYL-7-PROPYLXANTHINE AND SYNTHETIC INTERMEDIATE THEREOF | SHIRATORI SEIYAKU KK | 1989-07-18 | — | — | JP | disclosed |